[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone

C20H30N4O — CID 155881163

IUPAC[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CC(c3nncn3C3CC3)C3(CCC3)C2)CCCCC1
InChIInChI=1S/C20H30N4O/c1-19(8-3-2-4-9-19)18(25)23-12-16(20(13-23)10-5-11-20)17-22-21-14-24(17)15-6-7-15/h14-16H,2-13H2,1H3
InChIKeyGENMYIRNKOLAGD-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.68
Rot. Bonds3

About [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone

[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone (PubChem CID 155881163) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
PubChem CID155881163
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CC(c3nncn3C3CC3)C3(CCC3)C2)CCCCC1
InChIInChI=1S/C20H30N4O/c1-19(8-3-2-4-9-19)18(25)23-12-16(20(13-23)10-5-11-20)17-22-21-14-24(17)15-6-7-15/h14-16H,2-13H2,1H3
InChIKeyGENMYIRNKOLAGD-UHFFFAOYSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone (CID 155881163) is [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CC(c3nncn3C3CC3)C3(CCC3)C2)CCCCC1.
What is the InChIKey of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is GENMYIRNKOLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-19(8-3-2-4-9-19)18(25)23-12-16(20(13-23)10-5-11-20)17-22-21-14-24(17)15-6-7-15/h14-16H,2-13H2,1H3.
What are the key properties of [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone?
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 342.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 155881163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).